Substrate
/
Generation 1
/
Generation 2
XenoSite
Monoacetyldapsone
CC(=O)Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
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CC(=O)Nc1ccc(S(=O)(=O)C2=CC=C(N)C3OC23)cc1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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N=C1C=CC(S(=O)(=O)C2=CC=C(N)C3OC23)=CC1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 3
Select a metabolite to form the next generation.
hydrogenation
Probability 0.27
0.27
dehydration
Probability 0.25
0.25
dehydration
Probability 0.25
0.25
15o
hydrogenation
Probability 0.25
0.25
oxygen reduction
Probability 0.25
0.25
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